2-Pentyl-3-phenylprop-2-en-1-ol
Basic information
- CAS
101-85-9- Standard SMILES
CCCCC/C(=C/c1ccccc1)CO- InChIKey
LIPHCKNQPJXUQF-KAMYIIQDSA-N- Molecular formula
- C14H20O
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.15141526
Names & identifiers
- Preferred name
- 2-Pentyl-3-phenylprop-2-en-1-ol
- IUPAC
- (2Z)-2-benzylideneheptan-1-ol
- English name
- ALPHA-AMYLCINNAMYL ALCOHOL
- Molecular formula
- C14H20O
- Molecular weight
- 204.31
Names & synonyms
2-Benzylideneheptanolalpha-Pentylcinnamyl alcohol2-Pentyl-3-phenylprop-2-en-1-olRefChem:4778882-benzylideneheptan-1-ol101-85-9alpha-Amylcinnamyl alcohol(2Z)-2-benzylideneheptan-1-ol943517-69-9(2Z)-2-(Phenylmethylene)-1-heptanol1-Heptanol, 2-(phenylmethylene)-, (2Z)-2-Amyl-3-phenyl-2-propen-1-ol
Show more names
FEMA 2065α-Amylcinnamyl Alcohol2-BENZYLIDENE-1-HEPTANOLalpha-Amylcinnamic alcoholalpha-Amylcinnamyl alcohol solutionSKL068BUXINOL
36J0A47E6X2-(Phenylmethylene)-1-heptanol1-Heptanol, 2-(phenylmethylene)-(2E)-2-Pentyl-3-phenyl-2-propen-1-ola-amylcinnamyl alcohol2-Pentyl-3-phenyl-2-propen-1-olAmyl cinnamic alcohol|A-Amylcinnamyl alcohol
Database identifiers
- CAS
101-85-9、943517-69-9- PubChem CID
- 6076971
- ChEMBL
CHEMBL3182479- UNII
- 36J0A47E6X
- EC Number
- 202-982-8
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
CosmeticsCosmetics ingredient -> Base; Flavor; Fragrance
Fragrances
Fragrance substance (alpha-Amyl cinnamic alcohol) -> IFRA amendment 49
Fragrance Ingredient (alpha-Amylcinnamyl alcohol) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.954-0.962
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water
miscible (in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point
141.00 to 143.00 °C. @ 5.00 mm Hg
141 °C (5 mm Hg)
Refractive Index1.533-1.540
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (87.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 318 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Heptanol, 2-(phenylmethylene)-
Hazard Traits - Fragrance Allergen
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Amyl cinnamyl alcohol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Data-poor fragrance chemicals: Environment tier II assessment
Hazard Classes and CategoriesSkin Irrit. 2 (87.4%)
Safety data
- F
- 10-23
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- MJ3280000
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- hs_code
- 2918195000
- Toxicity
- LD50 orl-rat: 4000 mg/kg FCTXAV 12,807,74
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
IFRA Fragrance Standards
alpha-Amyl cinnamic alcohol
Amylcinnamyl alcohol; α-Amylcinnamyl alcohol; 2-Amyl-3-phenyl-2-propen-1-ol; 2-Benzylideneheptanol; 1-Heptanol, 2-(phenylmethylene)-; α-Pentylcinnamyl alcohol
IFRA_STD_004.pdf
49
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Household Products
Cosmetics product ingredient: 2-Pentyl-3-phenylprop-2-en-1-ol (AMYLCINNAMYL ALCOHOL)
Information on 37 consumer products that contain Amylcinnamyl Alcohol in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1-Heptanol, 2-(phenylmethylene)-: ACTIVE
Restriction Limits in the Finished Product (%)
0.27 [Products applied to the lips]
0.08 [Products applied to the axillae]
0.64 [Products applied to the face/body using fingertips]
1.5 [Products related to fine fragrances]
0.38 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.32 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Applications
Suppliers
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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